# generated using pymatgen
data_ZrScIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.75154403
_cell_length_b   10.75154403
_cell_length_c   10.75154403
_cell_angle_alpha   127.40848154
_cell_angle_beta   117.62346393
_cell_angle_gamma   85.91982306
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrScIr2
_chemical_formula_sum   'Zr1 Sc1 Ir2'
_cell_volume   834.63603449
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Zr  Zr0  1  0.00000000  0.50000000  0.50000000  1.0
  Sc  Sc1  1  0.00000000  0.00000000  0.00000000  1.0
  Ir  Ir2  1  0.00000000  0.25554200  0.25554200  1.0
  Ir  Ir3  1  0.00000000  0.74445800  0.74445800  1.0